N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide

C26H29NO3 — CID 141169370

IUPACN-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
SMILESCOc1cccc(C(CC(C)C)NC(=O)c2cccc(COc3ccccc3)c2)c1
InChIInChI=1S/C26H29NO3/c1-19(2)15-25(21-10-8-14-24(17-21)29-3)27-26(28)22-11-7-9-20(16-22)18-30-23-12-5-4-6-13-23/h4-14,16-17,19,25H,15,18H2,1-3H3,(H,27,28)
InChIKeyDVGSLMZTVUOOAB-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.79
Rot. Bonds9

About N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide

N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide (PubChem CID 141169370) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
PubChem CID141169370
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
SMILESCOc1cccc(C(CC(C)C)NC(=O)c2cccc(COc3ccccc3)c2)c1
InChIInChI=1S/C26H29NO3/c1-19(2)15-25(21-10-8-14-24(17-21)29-3)27-26(28)22-11-7-9-20(16-22)18-30-23-12-5-4-6-13-23/h4-14,16-17,19,25H,15,18H2,1-3H3,(H,27,28)
InChIKeyDVGSLMZTVUOOAB-UHFFFAOYSA-N
XLogP5.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063928
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063881
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(2-methylprop-2-enoxy)benzamide
CID 132655047
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide (CID 141169370) is N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide is COc1cccc(C(CC(C)C)NC(=O)c2cccc(COc3ccccc3)c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The InChIKey is DVGSLMZTVUOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-19(2)15-25(21-10-8-14-24(17-21)29-3)27-26(28)22-11-7-9-20(16-22)18-30-23-12-5-4-6-13-23/h4-14,16-17,19,25H,15,18H2,1-3H3,(H,27,28).
What are the key properties of N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide?
N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide has a molecular weight of 403.52 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide is sourced from PubChem (CID 141169370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).